6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione

C22H20Cl2N4O3 — CID 118578388

IUPAC6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)C2=C(C(C(C)C)NN2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C22H20Cl2N4O3/c1-10(2)18-17-19(27-26-18)20(29)28(15-9-12(24)5-7-16(15)31-3)22(17)13-6-4-11(23)8-14(13)25-21(22)30/h4-10,18,26-27H,1-3H3,(H,25,30)
InChIKeyLNEBJZKLHOJCQD-UHFFFAOYSA-N
MW459.33 g/mol
LogP3.58
Rot. Bonds3

About 6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione

6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione (PubChem CID 118578388) has the molecular formula C22H20Cl2N4O3 and a molecular weight of 459.33 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione.

Molecular Properties

Compound Name6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione
PubChem CID118578388
Molecular FormulaC22H20Cl2N4O3
Molecular Weight459.33 g/mol
Exact Mass458.09
IUPAC Name6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)C2=C(C(C(C)C)NN2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C22H20Cl2N4O3/c1-10(2)18-17-19(27-26-18)20(29)28(15-9-12(24)5-7-16(15)31-3)22(17)13-6-4-11(23)8-14(13)25-21(22)30/h4-10,18,26-27H,1-3H3,(H,25,30)
InChIKeyLNEBJZKLHOJCQD-UHFFFAOYSA-N
XLogP3.58
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.33
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3'-tert-butyl-6-chloro-5'-(5-chloro-2-methoxyphenyl)spiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione
CID 118578389
6-chloro-5'-(5-chloro-2-hydroxyphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrazole]-2,6'-dione
CID 129120359
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione
CID 129120408
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(3-methoxy-4-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrazole]-2,6'-dione
CID 129097098
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(3-methoxy-4-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656641
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 150976754
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656556
(3S)-6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione
CID 129097057
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 142613137
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2,4-dimethoxyphenyl)-3'-(1-hydroxypropan-2-yl)spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 142613124
(3S)-2'-(4-amino-2-methoxy-5-methylphenyl)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656616
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656603

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione?
The IUPAC name of 6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione (CID 118578388) is 6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione.
What is the SMILES notation for 6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione?
The canonical SMILES for 6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione is COc1ccc(Cl)cc1N1C(=O)C2=C(C(C(C)C)NN2)C12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione?
The InChIKey is LNEBJZKLHOJCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O3/c1-10(2)18-17-19(27-26-18)20(29)28(15-9-12(24)5-7-16(15)31-3)22(17)13-6-4-11(23)8-14(13)25-21(22)30/h4-10,18,26-27H,1-3H3,(H,25,30).
What are the key properties of 6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione?
6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione has a molecular weight of 459.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5'-(5-chloro-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-2,3-dihydro-1H-pyrrolo[3,4-c]pyrazole]-2,6'-dione is sourced from PubChem (CID 118578388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).